Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

126-50-1

126-50-1 structure

Name: Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-
Chemical Name: 4-acetyl-4-(2-cyanoethyl)heptanedinitrile
CAS Number: 126-50-1
Molecular Formula: C₁₂H₁₅N₃O
Molecular Weight: 217.26700
Create Date: 2017-10-26 22:25:56
Modify Date: 2024-01-12 14:59:30

Name	4-acetyl-4-(2-cyanoethyl)heptanedinitrile
Synonyms	1,1,1-Tris-cyanoethylacetone USAF B-122 EINECS 204-787-3

Density	1.065g/cm3
Boiling Point	500.7ºC at 760mmHg
Molecular Formula	C₁₂H₁₅N₃O
Molecular Weight	217.26700
Flash Point	256.6ºC
Exact Mass	217.12200
PSA	88.44000
LogP	2.47314
Vapour Pressure	3.7E-10mmHg at 25°C
Index of Refraction	1.474

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MI9050000

CHEMICAL NAME :: 1,7-Heptanedinitrile, 4-acetyl-4-(2-cyanoethyl)-

CAS REGISTRY NUMBER :: 126-50-1

BEILSTEIN REFERENCE NO. :: 1782506

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C12-H15-N3-O

MOLECULAR WEIGHT :: 217.30

WISWESSER LINE NOTATION :: NC2XV1&2CN&2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,29,1953

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

HS Code	2926909090

107-13-1

67-64-1

126-50-1

Literature: Bayer Angewandte Chemie, 1949 , vol. 61, p. 234 Anm.131 Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2329433 , 1941 ; Full Text Show Details Bruson; Riener Journal of the American Chemical Society, 1942 , vol. 64, p. 2857 Journal of the American Chemical Society, 1943 , vol. 65, p. 21 Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2329433 , 1941 ;

107-13-1

67-64-1

75-65-0

126-50-1

Literature: Resinous Prod. and Chem. Co. Patent: US2329433 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2311183 , 1942 ; Full Text Show Details Resinous Prod. and Chem. Co Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co Patent: US2394962 , 1943 ;

100-85-6

107-13-1

67-64-1

126-50-1

107-13-1

67-64-1

10412-98-3

126-50-1

Literature: Du Pont de Nemours and Co. Patent: US2579580 , 1950 ;

Precursor 4
107-13-1 67-64-1 75-65-0 100-85-6
DownStream 2
1607-75-6 5617-46-9

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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